2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide

C20H31N3O5S — CID 96533708

IUPAC2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)[C@@H]2CCC[C@@H]2O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H31N3O5S/c1-22(16-7-6-8-17(16)24)14-20(25)21-15-9-10-18(28-2)19(13-15)29(26,27)23-11-4-3-5-12-23/h9-10,13,16-17,24H,3-8,11-12,14H2,1-2H3,(H,21,25)/t16-,17+/m1/s1
InChIKeyIBTNRIZEGJDDLD-SJORKVTESA-N
MW425.55 g/mol
LogP1.65
Rot. Bonds7

About 2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide

2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 96533708) has the molecular formula C20H31N3O5S and a molecular weight of 425.55 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID96533708
Molecular FormulaC20H31N3O5S
Molecular Weight425.55 g/mol
Exact Mass425.20
IUPAC Name2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)[C@@H]2CCC[C@@H]2O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H31N3O5S/c1-22(16-7-6-8-17(16)24)14-20(25)21-15-9-10-18(28-2)19(13-15)29(26,27)23-11-4-3-5-12-23/h9-10,13,16-17,24H,3-8,11-12,14H2,1-2H3,(H,21,25)/t16-,17+/m1/s1
InChIKeyIBTNRIZEGJDDLD-SJORKVTESA-N
XLogP1.65
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902019
2-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 5024016
2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 18078412
2-(3,5-dimethylpiperidin-1-yl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 42999312
cyclopentyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-dimethylazanium
CID 8875638
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583478
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903716
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 92685178

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide (CID 96533708) is 2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide is COc1ccc(NC(=O)CN(C)[C@@H]2CCC[C@@H]2O)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is IBTNRIZEGJDDLD-SJORKVTESA-N. The full InChI is InChI=1S/C20H31N3O5S/c1-22(16-7-6-8-17(16)24)14-20(25)21-15-9-10-18(28-2)19(13-15)29(26,27)23-11-4-3-5-12-23/h9-10,13,16-17,24H,3-8,11-12,14H2,1-2H3,(H,21,25)/t16-,17+/m1/s1.
What are the key properties of 2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 425.55 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 96533708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).